Poly[bis-[μ(2)-1,4-bis-(1,2,4-triazol-1-yl-meth-yl)benzene-κN:N]bis(nitrito-κO)cobalt(II)].

The Co(II) atom in the title complex, [Co(NO(2))(2)(C(12)H(12)N(6))(2)](n), lies on an inversion center and is coordinated by four N atoms from the triazole rings of two symmetry-related pairs of 1,4-bis-(1,2,4-triazol-1-ylmeth-yl)benzene (bbtz) ligands and two O atoms from two symmetry-related monodentate nitrate ligands in a distorted octa-hedral geometry. The Co atoms are bridged by four bbtz ligands, forming a two-dimensional (4,4) network parallel to (102).

Related literature

The synthesis of the ligand 1,4-bis­(1,2,4-triazol-1-ylmeth­yl)-benzene (bbtz) was described by Peng et al. (2004 ▶). Several bbtz complexes have been synthesized and structurally characterized, see: Li et al. (2005 ▶); Wang et al. (2007 ▶).

Experimental

Crystal data

[Co(NO2)2(C12H12N6)2]

M = 631.50

Monoclinic,

a = 8.3037 (13) Å

b = 20.376 (3) Å

c = 8.4261 (11) Å

β = 104.390 (4)°

V = 1380.9 (3) Å3

Z = 2

Mo Kα radiation

μ = 0.68 mm−1

T = 193 K

0.33 × 0.26 × 0.10 mm

Data collection

Rigaku Mercury CCD diffractometer

Absorption correction: multi-scan (REQAB; Jacobson, 1998 ▶) T min = 0.806, T max = 0.935

15379 measured reflections

3152 independent reflections

2768 reflections with I > 2σ(I)

R int = 0.032

Refinement

R[F 2 > 2σ(F 2)] = 0.041

wR(F 2) = 0.098

S = 1.07

3152 reflections

197 parameters

H-atom parameters constrained

Δρmax = 0.28 e Å−3

Δρmin = −0.29 e Å−3

Data collection: CrystalClear (Rigaku, 2000 ▶); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: SHELXTL (Sheldrick, 2008 ▶); software used to prepare material for publication: SHELXTL.

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536809039415/gk2227sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536809039415/gk2227Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

[Co(NO2)2(C12H12N6)2]	F(000) = 650
Mr = 631.50	Dx = 1.519 Mg m−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
a = 8.3037 (13) Å	Cell parameters from 5616 reflections
b = 20.376 (3) Å	θ = 3.1–27.5°
c = 8.4261 (11) Å	µ = 0.68 mm−1
β = 104.390 (4)°	T = 193 K
V = 1380.9 (3) Å3	Block, red
Z = 2	0.33 × 0.26 × 0.10 mm

Rigaku Mercury CCD diffractometer	3152 independent reflections
Radiation source: fine-focus sealed tube	2768 reflections with I > 2σ(I)
graphite	Rint = 0.032
ω scans	θmax = 27.5°, θmin = 3.2°
Absorption correction: multi-scan (REQAB; Jacobson, 1998)	h = −10→10
Tmin = 0.806, Tmax = 0.935	k = −26→26
15379 measured reflections	l = −10→10

Refinement on F2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.041	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.098	H-atom parameters constrained
S = 1.07	w = 1/[σ2(Fo2) + (0.0436P)2 + 0.7485P] where P = (Fo2 + 2Fc2)/3
3152 reflections	(Δ/σ)max < 0.001
197 parameters	Δρmax = 0.28 e Å−3
0 restraints	Δρmin = −0.29 e Å−3

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

	x	y	z	Uiso*/Ueq
Co1	0.0000	0.5000	0.5000	0.02085 (12)
O1	0.25015 (18)	0.50405 (7)	0.6333 (2)	0.0350 (4)
O2	0.48900 (19)	0.54314 (9)	0.7278 (2)	0.0461 (4)
N1	0.1620 (2)	0.57944 (8)	0.0939 (2)	0.0273 (4)
N2	−0.0036 (2)	0.58502 (11)	0.0290 (2)	0.0412 (5)
N3	0.0484 (2)	0.54604 (8)	0.2865 (2)	0.0257 (3)
N4	0.8222 (2)	0.83452 (8)	0.2102 (2)	0.0274 (4)
N5	0.9542 (2)	0.80233 (9)	0.1784 (2)	0.0349 (4)
N6	0.93982 (19)	0.90596 (8)	0.08323 (19)	0.0253 (3)
N7	0.3509 (2)	0.54893 (10)	0.6299 (2)	0.0425 (5)
C1	0.3965 (2)	0.65065 (10)	0.0737 (2)	0.0282 (4)
C2	0.5418 (3)	0.63661 (11)	0.1894 (3)	0.0343 (5)
H2A	0.5699	0.5923	0.2188	0.041*
C3	0.6470 (3)	0.68667 (11)	0.2632 (3)	0.0339 (5)
H3A	0.7471	0.6762	0.3419	0.041*
C4	0.6084 (3)	0.75136 (10)	0.2239 (2)	0.0289 (4)
C5	0.4628 (3)	0.76574 (11)	0.1061 (3)	0.0376 (5)
H5A	0.4353	0.8101	0.0766	0.045*
C6	0.3576 (3)	0.71570 (11)	0.0315 (3)	0.0364 (5)
H6A	0.2585	0.7260	−0.0488	0.044*
C7	0.2823 (3)	0.59545 (11)	−0.0029 (3)	0.0333 (5)
H7A	0.2214	0.6082	−0.1151	0.040*
H7B	0.3494	0.5560	−0.0112	0.040*
C8	0.7201 (3)	0.80549 (11)	0.3108 (3)	0.0370 (5)
H8A	0.6508	0.8403	0.3425	0.044*
H8B	0.7939	0.7877	0.4125	0.044*
C9	−0.0655 (3)	0.56403 (12)	0.1496 (3)	0.0371 (5)
H9A	−0.1817	0.5618	0.1406	0.044*
C10	0.1907 (3)	0.55662 (11)	0.2456 (2)	0.0312 (5)
H10A	0.2979	0.5489	0.3153	0.037*
C11	1.0198 (3)	0.84752 (10)	0.1016 (3)	0.0317 (5)
H11A	1.1157	0.8397	0.0621	0.038*
C12	0.8157 (2)	0.89541 (10)	0.1543 (2)	0.0269 (4)
H12A	0.7344	0.9270	0.1635	0.032*

	U11	U22	U33	U12	U13	U23
Co1	0.01814 (19)	0.02220 (19)	0.0236 (2)	−0.00012 (13)	0.00787 (14)	0.00201 (14)
O1	0.0210 (7)	0.0348 (8)	0.0459 (9)	−0.0049 (6)	0.0020 (6)	0.0075 (7)
O2	0.0229 (8)	0.0624 (11)	0.0527 (10)	−0.0088 (7)	0.0087 (7)	−0.0060 (9)
N1	0.0262 (9)	0.0307 (9)	0.0257 (8)	−0.0063 (7)	0.0079 (7)	0.0017 (7)
N2	0.0296 (10)	0.0549 (13)	0.0378 (10)	−0.0010 (9)	0.0058 (8)	0.0142 (9)
N3	0.0251 (8)	0.0266 (8)	0.0273 (8)	0.0002 (6)	0.0101 (6)	0.0036 (7)
N4	0.0262 (8)	0.0276 (8)	0.0291 (9)	−0.0053 (7)	0.0083 (7)	−0.0024 (7)
N5	0.0296 (9)	0.0304 (9)	0.0455 (11)	0.0004 (7)	0.0108 (8)	0.0020 (8)
N6	0.0221 (8)	0.0260 (8)	0.0289 (8)	−0.0026 (6)	0.0084 (6)	−0.0019 (7)
N7	0.0331 (10)	0.0523 (12)	0.0406 (11)	−0.0124 (9)	0.0061 (8)	0.0041 (9)
C1	0.0274 (10)	0.0323 (11)	0.0283 (10)	−0.0054 (8)	0.0135 (8)	0.0017 (8)
C2	0.0330 (11)	0.0293 (11)	0.0412 (12)	−0.0004 (9)	0.0101 (9)	0.0087 (9)
C3	0.0288 (11)	0.0365 (11)	0.0342 (11)	−0.0014 (9)	0.0034 (9)	0.0089 (9)
C4	0.0293 (10)	0.0314 (10)	0.0284 (10)	−0.0053 (8)	0.0118 (8)	0.0013 (8)
C5	0.0344 (12)	0.0282 (11)	0.0499 (14)	−0.0001 (9)	0.0098 (10)	0.0077 (10)
C6	0.0284 (11)	0.0389 (12)	0.0394 (12)	0.0001 (9)	0.0035 (9)	0.0091 (10)
C7	0.0368 (12)	0.0396 (12)	0.0281 (10)	−0.0116 (9)	0.0167 (9)	−0.0018 (9)
C8	0.0424 (13)	0.0397 (12)	0.0323 (11)	−0.0137 (10)	0.0154 (10)	−0.0017 (10)
C9	0.0244 (11)	0.0480 (13)	0.0404 (12)	0.0020 (9)	0.0110 (9)	0.0111 (10)
C10	0.0249 (10)	0.0411 (12)	0.0280 (10)	−0.0036 (8)	0.0069 (8)	0.0064 (9)
C11	0.0244 (10)	0.0303 (10)	0.0414 (12)	−0.0003 (8)	0.0099 (9)	−0.0019 (9)
C12	0.0242 (10)	0.0267 (10)	0.0309 (10)	−0.0022 (8)	0.0088 (8)	−0.0022 (8)

Co1—O1i	2.1031 (15)	C1—C2	1.380 (3)
Co1—O1	2.1031 (15)	C1—C6	1.389 (3)
Co1—N6ii	2.1418 (16)	C1—C7	1.509 (3)
Co1—N6iii	2.1418 (16)	C2—C3	1.385 (3)
Co1—N3	2.1530 (16)	C2—H2A	0.9500
Co1—N3i	2.1530 (16)	C3—C4	1.377 (3)
O1—N7	1.245 (2)	C3—H3A	0.9500
O2—N7	1.240 (2)	C4—C5	1.391 (3)
N1—C10	1.325 (3)	C4—C8	1.509 (3)
N1—N2	1.353 (2)	C5—C6	1.387 (3)
N1—C7	1.475 (2)	C5—H5A	0.9500
N2—C9	1.319 (3)	C6—H6A	0.9500
N3—C10	1.328 (2)	C7—H7A	0.9900
N3—C9	1.348 (3)	C7—H7B	0.9900
N4—C12	1.324 (3)	C8—H8A	0.9900
N4—N5	1.360 (2)	C8—H8B	0.9900
N4—C8	1.465 (3)	C9—H9A	0.9500
N5—C11	1.319 (3)	C10—H10A	0.9500
N6—C12	1.331 (2)	C11—H11A	0.9500
N6—C11	1.353 (3)	C12—H12A	0.9500
N6—Co1iv	2.1418 (16)
O1i—Co1—O1	180.0	C4—C3—C2	120.9 (2)
O1i—Co1—N6ii	94.01 (6)	C4—C3—H3A	119.6
O1—Co1—N6ii	85.99 (6)	C2—C3—H3A	119.6
O1i—Co1—N6iii	85.99 (6)	C3—C4—C5	118.83 (19)
O1—Co1—N6iii	94.01 (6)	C3—C4—C8	120.3 (2)
N6ii—Co1—N6iii	180.00 (8)	C5—C4—C8	120.85 (19)
O1i—Co1—N3	86.30 (6)	C6—C5—C4	120.4 (2)
O1—Co1—N3	93.70 (6)	C6—C5—H5A	119.8
N6ii—Co1—N3	90.52 (6)	C4—C5—H5A	119.8
N6iii—Co1—N3	89.48 (6)	C5—C6—C1	120.3 (2)
O1i—Co1—N3i	93.70 (6)	C5—C6—H6A	119.8
O1—Co1—N3i	86.30 (6)	C1—C6—H6A	119.8
N6ii—Co1—N3i	89.48 (6)	N1—C7—C1	111.64 (17)
N6iii—Co1—N3i	90.52 (6)	N1—C7—H7A	109.3
N3—Co1—N3i	180.00 (8)	C1—C7—H7A	109.3
N7—O1—Co1	126.67 (14)	N1—C7—H7B	109.3
C10—N1—N2	109.92 (16)	C1—C7—H7B	109.3
C10—N1—C7	128.82 (18)	H7A—C7—H7B	108.0
N2—N1—C7	121.23 (17)	N4—C8—C4	112.87 (17)
C9—N2—N1	102.28 (17)	N4—C8—H8A	109.0
C10—N3—C9	102.35 (17)	C4—C8—H8A	109.0
C10—N3—Co1	130.55 (14)	N4—C8—H8B	109.0
C9—N3—Co1	126.63 (14)	C4—C8—H8B	109.0
C12—N4—N5	110.21 (16)	H8A—C8—H8B	107.8
C12—N4—C8	127.34 (18)	N2—C9—N3	115.02 (19)
N5—N4—C8	122.01 (17)	N2—C9—H9A	122.5
C11—N5—N4	102.19 (17)	N3—C9—H9A	122.5
C12—N6—C11	102.66 (16)	N3—C10—N1	110.43 (18)
C12—N6—Co1iv	124.14 (13)	N3—C10—H10A	124.8
C11—N6—Co1iv	132.60 (13)	N1—C10—H10A	124.8
O2—N7—O1	115.52 (19)	N5—C11—N6	114.82 (18)
C2—C1—C6	119.04 (19)	N5—C11—H11A	122.6
C2—C1—C7	119.60 (19)	N6—C11—H11A	122.6
C6—C1—C7	121.36 (19)	N4—C12—N6	110.11 (17)
C1—C2—C3	120.5 (2)	N4—C12—H12A	124.9
C1—C2—H2A	119.7	N6—C12—H12A	124.9
C3—C2—H2A	119.7
N6ii—Co1—O1—N7	126.75 (19)	C2—C1—C6—C5	−0.6 (3)
N6iii—Co1—O1—N7	−53.25 (19)	C7—C1—C6—C5	178.6 (2)
N3—Co1—O1—N7	36.48 (19)	C10—N1—C7—C1	−63.3 (3)
N3i—Co1—O1—N7	−143.52 (19)	N2—N1—C7—C1	119.1 (2)
C10—N1—N2—C9	−0.5 (2)	C2—C1—C7—N1	88.2 (2)
C7—N1—N2—C9	177.54 (19)	C6—C1—C7—N1	−91.0 (2)
O1i—Co1—N3—C10	−165.51 (19)	C12—N4—C8—C4	115.1 (2)
O1—Co1—N3—C10	14.49 (19)	N5—N4—C8—C4	−73.2 (3)
N6ii—Co1—N3—C10	−71.53 (19)	C3—C4—C8—N4	104.3 (2)
N6iii—Co1—N3—C10	108.47 (19)	C5—C4—C8—N4	−77.4 (3)
O1i—Co1—N3—C9	5.24 (18)	N1—N2—C9—N3	0.5 (3)
O1—Co1—N3—C9	−174.76 (18)	C10—N3—C9—N2	−0.3 (3)
N6ii—Co1—N3—C9	99.22 (18)	Co1—N3—C9—N2	−173.14 (16)
N6iii—Co1—N3—C9	−80.78 (18)	C9—N3—C10—N1	0.0 (2)
C12—N4—N5—C11	−0.5 (2)	Co1—N3—C10—N1	172.41 (13)
C8—N4—N5—C11	−173.46 (18)	N2—N1—C10—N3	0.3 (3)
Co1—O1—N7—O2	175.00 (14)	C7—N1—C10—N3	−177.51 (18)
C6—C1—C2—C3	0.3 (3)	N4—N5—C11—N6	0.4 (2)
C7—C1—C2—C3	−178.94 (19)	C12—N6—C11—N5	−0.1 (2)
C1—C2—C3—C4	0.6 (3)	Co1iv—N6—C11—N5	170.93 (14)
C2—C3—C4—C5	−1.2 (3)	N5—N4—C12—N6	0.5 (2)
C2—C3—C4—C8	177.2 (2)	C8—N4—C12—N6	172.95 (18)
C3—C4—C5—C6	0.9 (3)	C11—N6—C12—N4	−0.2 (2)
C8—C4—C5—C6	−177.4 (2)	Co1iv—N6—C12—N4	−172.27 (12)
C4—C5—C6—C1	0.0 (3)

Co1—O1	2.1031 (15)
Co1—N6i	2.1418 (16)
Co1—N3	2.1530 (16)

O1ii—Co1—O1	180
O1—Co1—N6i	85.99 (6)
N6i—Co1—N6iii	180
O1—Co1—N3	93.70 (6)
N6i—Co1—N3	90.52 (6)
N3—Co1—N3ii	180

Symmetry codes: (i) ; (ii) ; (iii) .